SCHEMBL9727342

SCHEMBL9727342

O=C(O)c1ccc(C(=O)c2ccccc2)cc1.O=C(O)c1cccc(C(=O)c2ccccc2)c1.O=C(c1ccc(C(=O)O)c(C(=O)O)c1)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.74
HSD17B10 Q99714 2/20 0.66
CDC25A P30304 1/20 0.66
CDC25B P30305 1/20 0.66
TDP1 Q9NUW8 3/20 0.64
POLB P06746 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
SRD5A2 P31213 4/20 0.62
ATM Q13315 1/20 0.62
CYP2C8 P10632 1/20 0.54
CYP2C9 P11712 1/20 0.54
AKR1C3 P42330 1/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
PBRM1 Q86U86 1/20 0.49
DAO P14920 1/20 0.48
TSHR P16473 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
ALDH1A1 P00352 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL464994 0.95 KDM4E (0.70) KDM4EHSD17B10CDC25ACDC25BTDP1
Pyromellitic Acid SCHEMBL9244438 0.93 KDM4E (0.68) KDM4EHSD17B10CDC25ACDC25BTDP1
Benzophenone SCHEMBL8946163 0.91 CDC25B (0.78) KDM4EHSD17B10CDC25ACDC25BTDP1
SCHEMBL1295856 0.91 CDC25B (0.78) KDM4EHSD17B10CDC25ACDC25BTDP1
SCHEMBL202842 0.91 CDC25B (0.71) KDM4EHSD17B10CDC25ACDC25BTDP1
Terephthalic Acid SCHEMBL5165105 0.91 KDM4E (0.69) KDM4EHSD17B10CDC25ACDC25BTDP1
SCHEMBL29440675 0.91 CDC25B (0.71) KDM4EHSD17B10CDC25ACDC25BTDP1
SCHEMBL29432854 0.89 POLB (0.78) KDM4EHSD17B10CDC25ACDC25BTDP1
SCHEMBL6866245 0.89 POLB (0.78) KDM4EHSD17B10CDC25ACDC25BTDP1
Isophthalic Acid SCHEMBL4894286 0.89 KDM4E (0.71) KDM4EHSD17B10CDC25ACDC25BTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5087550-A Polymer procursor and aryl-containing carbonyl compounds BASF AKTIENGESELLSCHAFT (DE) 1992-02-11 US claimed